HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=10244",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=10242",
"results": [
{
"id": "mp-1226447",
"created_at": "2022-09-04T14:39:28.979501Z",
"structure_string": "Co3 Ir1\n1.0\n1.310115 -2.269186 0.000000\n1.310115 2.269186 0.000000\n0.000000 0.000000 8.163292\nCo Ir\n3 1\ndirect\n0.333333 0.666667 0.000000 Co\n0.000000 0.000000 0.760800 Co\n0.000000 0.000000 0.239200 Co\n0.333333 0.666667 0.500000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"Ir"
],
"chemical_system": "Co-Ir",
"density": 12.624673094865319,
"density_atomic": 0.08241099348153937,
"volume": 48.53721367763911,
"volume_molar": 7.3074483216235,
"formula_full": "Co3 Ir1",
"formula_reduced": "Co3Ir",
"formula_anonymous": "AB3",
"energy": -29.98170591,
"energy_per_atom": -7.4954264775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.98170591,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.3293003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.585000Z",
"spacegroup": 187
},
{
"id": "mp-1183698",
"created_at": "2022-09-04T14:42:43.145847Z",
"structure_string": "Co3 Ir1\n1.0\n3.582561 0.000000 0.000000\n0.000000 3.582561 0.000000\n0.000000 0.000000 3.582561\nCo Ir\n3 1\ndirect\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"Ir"
],
"chemical_system": "Co-Ir",
"density": 13.326441629423543,
"density_atomic": 0.08699197880230376,
"volume": 45.98125085866043,
"volume_molar": 6.9226391247931,
"formula_full": "Co3 Ir1",
"formula_reduced": "Co3Ir",
"formula_anonymous": "AB3",
"energy": -29.95997019,
"energy_per_atom": -7.4899925475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.95997019,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.1302143,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.191000Z",
"spacegroup": 221
},
{
"id": "mp-1183714",
"created_at": "2022-09-04T14:41:05.213043Z",
"structure_string": "Co3 I1\n1.0\n-1.902781 1.902781 3.740844\n1.902781 -1.902781 3.740844\n1.902781 1.902781 -3.740844\nCo I\n3 1\ndirect\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"I"
],
"chemical_system": "Co-I",
"density": 9.308774002279499,
"density_atomic": 0.07383338673450168,
"volume": 54.176033051059214,
"volume_molar": 8.156392421297271,
"formula_full": "Co3 I1",
"formula_reduced": "Co3I",
"formula_anonymous": "AB3",
"energy": -20.27857098,
"energy_per_atom": -5.069642745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.89957098,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8324478,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.842000Z",
"spacegroup": 139
},
{
"id": "mp-1204386",
"created_at": "2022-09-04T14:43:58.300018Z",
"structure_string": "Co3 H24 C6 O24\n1.0\n6.261589 0.000000 0.000000\n2.746169 8.305938 0.000000\n1.143309 3.405393 10.527416\nCo H C O\n3 24 6 24\ndirect\n0.515217 0.851832 0.320374 Co\n0.484783 0.148168 0.679626 Co\n0.500000 0.500000 0.000000 Co\n0.718363 0.039337 0.135143 H\n0.281637 0.960663 0.864857 H\n0.808182 0.028600 0.265438 H\n0.191818 0.971400 0.734562 H\n0.191639 0.780676 0.490355 H\n0.808361 0.219324 0.509645 H\n0.210599 0.666864 0.395995 H\n0.789401 0.333136 0.604005 H\n0.169954 0.359734 0.089995 H\n0.830046 0.640266 0.910005 H\n0.201523 0.455691 0.191329 H\n0.798477 0.544309 0.808671 H\n0.972566 0.861438 0.658819 H\n0.027434 0.138562 0.341181 H\n0.203639 0.722864 0.711130 H\n0.796361 0.277136 0.288870 H\n0.973996 0.230197 0.005615 H\n0.026004 0.769803 0.994385 H\n0.202562 0.098910 0.070841 H\n0.797438 0.901090 0.929159 H\n0.980655 0.543314 0.336358 H\n0.019345 0.456686 0.663642 H\n0.199097 0.398150 0.403850 H\n0.800903 0.601850 0.596150 H\n0.434380 0.767649 0.109558 C\n0.565620 0.232351 0.890442 C\n0.603977 0.610565 0.196732 C\n0.396023 0.389435 0.803268 C\n0.405986 0.075726 0.461633 C\n0.594014 0.924274 0.538367 C\n0.378819 0.900246 0.142852 O\n0.621181 0.099754 0.857148 O\n0.676737 0.630406 0.291961 O\n0.323263 0.369594 0.708039 O\n0.363382 0.753218 0.011998 O\n0.636618 0.246782 0.988002 O\n0.658623 0.473742 0.169562 O\n0.341377 0.526258 0.830438 O\n0.343909 0.067348 0.359443 O\n0.656091 0.932652 0.640557 O\n0.674085 0.801445 0.493506 O\n0.325915 0.198555 0.506494 O\n0.766365 0.960889 0.220486 O\n0.233635 0.039111 0.779514 O\n0.251180 0.761166 0.409256 O\n0.748820 0.238834 0.590744 O\n0.233378 0.444074 0.105168 O\n0.766622 0.555926 0.894832 O\n0.137416 0.835426 0.648377 O\n0.862584 0.164574 0.351623 O\n0.122797 0.220676 0.032181 O\n0.877203 0.779324 0.967819 O\n0.146390 0.512017 0.339944 O\n0.853610 0.487983 0.660056 O\n",
"nsites": 57,
"nelements": 4,
"elements": [
"Co",
"H",
"C",
"O"
],
"chemical_system": "C-Co-H-O",
"density": 1.992717997849186,
"density_atomic": 0.10410697512223177,
"volume": 547.5137466349054,
"volume_molar": 5.784569912755047,
"formula_full": "Co3 H24 C6 O24",
"formula_reduced": "CoH8(CO4)2",
"formula_anonymous": "AB2C8D8",
"energy": -354.22433231,
"energy_per_atom": -6.214461970350878,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -332.82233231,
"band_gap": 2.2106,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0130886,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.936000Z",
"spacegroup": 2
},
{
"id": "mp-1195037",
"created_at": "2022-09-04T14:39:13.664511Z",
"structure_string": "Co3 H18 C8 N6 O8\n1.0\n8.464612 0.000000 0.000000\n2.850007 8.033032 0.000000\n2.930146 2.037925 7.773240\nCo H C N O\n3 18 8 6 8\ndirect\n0.624026 0.624162 0.623864 Co\n0.375974 0.375838 0.376136 Co\n0.000000 0.000000 0.000000 Co\n0.093825 0.638360 0.070893 H\n0.638421 0.070457 0.094865 H\n0.071924 0.094986 0.638109 H\n0.906175 0.361640 0.929107 H\n0.361579 0.929543 0.905135 H\n0.928076 0.905014 0.361891 H\n0.239035 0.707138 0.898847 H\n0.706592 0.899064 0.238035 H\n0.899520 0.237791 0.707127 H\n0.760965 0.292862 0.101153 H\n0.293408 0.100936 0.761965 H\n0.100480 0.762209 0.292873 H\n0.050463 0.712454 0.883247 H\n0.711804 0.882117 0.051859 H\n0.881727 0.051092 0.712889 H\n0.949537 0.287546 0.116753 H\n0.288196 0.117883 0.948141 H\n0.118273 0.948908 0.287111 H\n0.441618 0.767209 0.561452 C\n0.767617 0.561506 0.441736 C\n0.560901 0.441793 0.767307 C\n0.558382 0.232791 0.438548 C\n0.232383 0.438494 0.558264 C\n0.439099 0.558207 0.232693 C\n0.715672 0.715514 0.714912 C\n0.284328 0.284486 0.285088 C\n0.108887 0.733402 0.958832 N\n0.733435 0.958309 0.109010 N\n0.958837 0.108805 0.733466 N\n0.891113 0.266598 0.041168 N\n0.266565 0.041691 0.890990 N\n0.041163 0.891195 0.266534 N\n0.316336 0.859625 0.519902 O\n0.859383 0.519974 0.316497 O\n0.519876 0.316037 0.859812 O\n0.683664 0.140375 0.480098 O\n0.140617 0.480026 0.683503 O\n0.480124 0.683963 0.140188 O\n0.776815 0.777076 0.777060 O\n0.223185 0.222924 0.222940 O\n",
"nsites": 43,
"nelements": 5,
"elements": [
"Co",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-Co-H-N-O",
"density": 1.5804591685268568,
"density_atomic": 0.08135417138009012,
"volume": 528.5531063810138,
"volume_molar": 7.402374897120278,
"formula_full": "Co3 H18 C8 N6 O8",
"formula_reduced": "Co3H18C8(N3O4)2",
"formula_anonymous": "A3B6C8D8E18",
"energy": -271.31968831,
"energy_per_atom": -6.309760193255814,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -258.74368831,
"band_gap": 1.4389,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0127643,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.248000Z",
"spacegroup": 148
},
{
"id": "mp-1183683",
"created_at": "2022-09-04T14:43:56.769002Z",
"structure_string": "Co3 H1\n1.0\n0.000000 2.670718 2.670718\n2.670718 0.000000 2.670718\n2.670718 2.670718 0.000000\nCo H\n3 1\ndirect\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"H"
],
"chemical_system": "Co-H",
"density": 7.749704415247215,
"density_atomic": 0.1049895067222612,
"volume": 38.09904556063477,
"volume_molar": 5.7359453796948925,
"formula_full": "Co3 H1",
"formula_reduced": "Co3H",
"formula_anonymous": "AB3",
"energy": -22.6904122,
"energy_per_atom": -5.67260305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.5114122,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.1346197,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.842000Z",
"spacegroup": 225
},
{
"id": "mp-1226445",
"created_at": "2022-09-04T14:42:51.023542Z",
"structure_string": "Co3 Ge2\n1.0\n1.965041 -3.403551 0.000000\n1.965041 3.403551 0.000000\n0.000000 0.000000 4.871540\nCo Ge\n3 2\ndirect\n0.000000 0.000000 0.241852 Co\n0.000000 0.000000 0.758148 Co\n0.333333 0.666667 0.500000 Co\n0.333333 0.666667 0.000000 Ge\n0.666667 0.333333 0.500000 Ge\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Co",
"Ge"
],
"chemical_system": "Co-Ge",
"density": 8.207523748604169,
"density_atomic": 0.07673082310109479,
"volume": 65.16286151931897,
"volume_molar": 7.848398487874525,
"formula_full": "Co3 Ge2",
"formula_reduced": "Co3Ge2",
"formula_anonymous": "A2B3",
"energy": -31.13407092,
"energy_per_atom": -6.226814184,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.13407092,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9498999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.005000Z",
"spacegroup": 187
},
{
"id": "mp-1178425",
"created_at": "2022-09-04T14:39:27.344584Z",
"structure_string": "Co3 F9\n1.0\n2.531181 4.306408 0.000000\n-2.531181 4.306408 0.000000\n0.000000 0.100409 7.010611\nCo F\n3 9\ndirect\n0.338401 0.331448 0.338517 Co\n0.004683 0.995317 0.000000 Co\n0.668552 0.661599 0.661483 Co\n0.925478 0.727053 0.826434 F\n0.006830 0.377608 0.501222 F\n0.315712 0.940820 0.825463 F\n0.725727 0.325777 0.825198 F\n0.272947 0.074522 0.173566 F\n0.385780 0.614220 0.500000 F\n0.622392 0.993170 0.498778 F\n0.059180 0.684288 0.174537 F\n0.674223 0.274273 0.174802 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Co",
"F"
],
"chemical_system": "Co-F",
"density": 3.7786439385807795,
"density_atomic": 0.07851579003932252,
"volume": 152.83549963631677,
"volume_molar": 7.669974099456903,
"formula_full": "Co3 F9",
"formula_reduced": "CoF3",
"formula_anonymous": "AB3",
"energy": -63.42442857,
"energy_per_atom": -5.285369047500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.35242857,
"band_gap": 1.5746,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0001511,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.889000Z",
"spacegroup": 5
},
{
"id": "mp-860537",
"created_at": "2022-09-04T14:45:20.314614Z",
"structure_string": "Co3 F9\n1.0\n2.557799 -4.430238 0.000000\n2.557799 4.430238 0.000000\n0.000000 0.000000 6.788859\nCo F\n3 9\ndirect\n0.666667 0.333333 0.338107 Co\n0.000000 0.000000 0.000000 Co\n0.333333 0.666667 0.661893 Co\n0.936629 0.672185 0.177154 F\n0.264444 0.327815 0.822846 F\n0.327815 0.264444 0.177154 F\n0.614705 0.614705 0.500000 F\n0.063371 0.735556 0.822846 F\n0.385295 0.000000 0.500000 F\n0.735556 0.063371 0.177154 F\n0.000000 0.385295 0.500000 F\n0.672185 0.936629 0.822846 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Co",
"F"
],
"chemical_system": "Co-F",
"density": 3.753530557337943,
"density_atomic": 0.07799396342615382,
"volume": 153.85806122497968,
"volume_molar": 7.72129084797938,
"formula_full": "Co3 F9",
"formula_reduced": "CoF3",
"formula_anonymous": "AB3",
"energy": -60.86301842,
"energy_per_atom": -5.071918201666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.79101842,
"band_gap": 0.4727000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1151073,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:06.750000Z",
"spacegroup": 150
},
{
"id": "mp-757881",
"created_at": "2022-09-04T14:39:17.594037Z",
"structure_string": "Co3 Cu3 Te2 O16\n1.0\n5.736534 0.000000 0.000000\n-2.822976 5.095936 0.000000\n-0.007593 -0.493507 9.190961\nCo Cu Te O\n3 3 2 16\ndirect\n0.829866 0.658366 0.786370 Co\n0.660370 0.830781 0.286733 Co\n0.165798 0.825675 0.289819 Co\n0.825825 0.160055 0.787574 Cu\n0.329379 0.163170 0.787865 Cu\n0.166654 0.333443 0.287312 Cu\n0.676255 0.349121 0.511760 Te\n0.335166 0.659119 0.011275 Te\n0.829122 0.162522 0.408729 O\n0.512620 0.046313 0.651307 O\n0.668158 0.348038 0.879163 O\n0.990792 0.977432 0.695644 O\n0.991173 0.985467 0.194825 O\n0.326596 0.166983 0.403193 O\n0.977905 0.504136 0.656389 O\n0.541427 0.525715 0.646518 O\n0.156860 0.309544 0.908599 O\n0.842084 0.677050 0.398400 O\n0.501079 0.527614 0.155593 O\n0.036793 0.518448 0.160118 O\n0.340654 0.676387 0.385427 O\n0.660904 0.823042 0.908117 O\n0.480347 0.959659 0.168401 O\n0.154375 0.811920 0.915146 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Co",
"Cu",
"Te",
"O"
],
"chemical_system": "Co-Cu-O-Te",
"density": 5.430248058170417,
"density_atomic": 0.08932577264809956,
"volume": 268.67945597905344,
"volume_molar": 6.741772930108681,
"formula_full": "Co3 Cu3 Te2 O16",
"formula_reduced": "Co3Cu3(TeO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -144.67214516,
"energy_per_atom": -6.028006048333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.76614516,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0798336,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.144000Z",
"spacegroup": 1
},
{
"id": "mp-1226500",
"created_at": "2022-09-04T14:40:09.007528Z",
"structure_string": "Co3 Cu1 Sn2 S8\n1.0\n-5.025397 -0.038651 -4.998324\n4.986746 -4.986746 0.000000\n-5.064048 -5.064048 0.000000\nCo Cu Sn S\n3 1 2 8\ndirect\n0.741389 0.870694 0.879306 Co\n0.499580 0.001654 0.500210 Co\n0.499580 0.497926 0.500210 Co\n0.263279 0.131639 0.118361 Cu\n0.999307 0.499654 0.001593 Sn\n0.999307 0.499654 0.499100 Sn\n0.958350 0.734981 0.270825 S\n0.958350 0.223370 0.270825 S\n0.492269 0.246135 0.719329 S\n0.492269 0.246135 0.288402 S\n0.037188 0.258361 0.731406 S\n0.037188 0.778827 0.731406 S\n0.510971 0.755485 0.274408 S\n0.510971 0.755485 0.714622 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Co",
"Cu",
"Sn",
"S"
],
"chemical_system": "Co-Cu-S-Sn",
"density": 4.829972281253964,
"density_atomic": 0.05545728115652172,
"volume": 252.4465626161266,
"volume_molar": 10.859062388946203,
"formula_full": "Co3 Cu1 Sn2 S8",
"formula_reduced": "Co3Cu(SnS4)2",
"formula_anonymous": "AB2C3D8",
"energy": -75.30295718,
"energy_per_atom": -5.378782655714287,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.27895718,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0002913,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.941000Z",
"spacegroup": 44
},
{
"id": "mp-775177",
"created_at": "2022-09-04T14:45:33.509676Z",
"structure_string": "Co3 Cu1 P4 O16\n1.0\n5.828110 0.000000 0.000000\n0.000000 4.788190 0.000000\n0.000000 0.041776 9.834355\nCo Cu P O\n3 1 4 16\ndirect\n0.000000 0.055147 0.279150 Co\n0.000000 0.440538 0.780771 Co\n0.500000 0.551289 0.220345 Co\n0.500000 0.938724 0.719546 Cu\n0.500000 0.081872 0.406263 P\n0.500000 0.420904 0.902533 P\n0.000000 0.586709 0.092769 P\n0.000000 0.909801 0.598189 P\n0.500000 0.162461 0.557007 O\n0.295491 0.232246 0.329107 O\n0.704509 0.232246 0.329107 O\n0.000000 0.228137 0.615398 O\n0.000000 0.270382 0.111999 O\n0.292014 0.278381 0.828492 O\n0.707986 0.278381 0.828492 O\n0.500000 0.339229 0.053712 O\n0.000000 0.667821 0.941871 O\n0.793467 0.732473 0.169637 O\n0.206533 0.732473 0.169637 O\n0.500000 0.741583 0.888939 O\n0.500000 0.766255 0.387613 O\n0.796391 0.756009 0.671727 O\n0.203609 0.756009 0.671727 O\n0.000000 0.840930 0.445970 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Co",
"Cu",
"P",
"O"
],
"chemical_system": "Co-Cu-O-P",
"density": 3.7528187769829455,
"density_atomic": 0.08745129499344773,
"volume": 274.43847460232803,
"volume_molar": 6.886279683395435,
"formula_full": "Co3 Cu1 P4 O16",
"formula_reduced": "Co3Cu(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy": -173.53725025,
"energy_per_atom": -7.230718760416667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.63125025,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9792673,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.077000Z",
"spacegroup": 6
}
]
}